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Montecarlo calculations of ionic structure in silicate and alumino-silicate melts

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Abstract

Results on structures of molten silicates and alumino-silicates calculated with the Montecarlo method are reported. The structure of the ions is in agreement with Masson’s hypotheses; in fact ions of the type SinO (2n+2)(3n+1 with chains even 30 + 35 atoms long have been found. The spatial configurations of the polymer ions are dependent on the vacancy-silicon interaction energy and therefore on the nature of the cation. The linear chain configuration is more frequent as the interaction energy becomes stronger.

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Authors and Affiliations

  1. Physical Chemistry Department, Centro Sperimentale Metallurgico S.p.A., Roma, Italy

    C. Borgianni (Senior Researcher) & P. Granati (Researcher)

Authors
  1. C. Borgianni
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  2. P. Granati
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Borgianni, C., Granati, P. Montecarlo calculations of ionic structure in silicate and alumino-silicate melts. Metall Trans B 10, 21–25 (1979). https://doi.org/10.1007/BF02653967

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  • DOI: https://doi.org/10.1007/BF02653967

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